pdb2sql.transform.rot_xyz_around_axis

pdb2sql.transform.rot_xyz_around_axis(xyz, axis, angle, center=None)

Rotate given xyz coordinates.

Parameters:

• xyz (np.array) – original xyz coordinates

• axis (list(float)) – axis of rotation

• angle (float) – angle of rotation

• center (list(float)) – center of rotation, defaults to the mean of input xyz.

Returns:

np.array – rotated xyz coordinates